Concept information
اصطلاح مرجح
(1r,2r,19r,22r,34s,37r,40r,52r)-2-[(2r,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,15-dichloro-26,31,38,44,47,49,64-heptahydroxy-22-(octylsulfonylamino)-21,35,54,56,59-pentaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid
نوع
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
مفهوم اعم
بار
- 0
فرمول
- C74H76Cl2N8O25S
نقشی دارد
اینچی
- InChI=1S/C74H76Cl2N8O25S/c1-3-4-5-6-7-8-17-110(103,104)84-59-34-11-14-47(90)51(24-34)105-40-21-36(20-38(87)27-40)57-69(97)81-58-37-25-52(106-49-15-9-32(18-43(49)75)19-45(67(95)79-57)78-71(59)99)63(92)53(26-37)107-50-16-12-35(23-44(50)76)66(109-74-61(77-31(2)86)65(94)64(93)54(30-85)108-74)62-72(100)82-60(73(101)102)42-28-39(88)29-48(91)55(42)41-22-33(10-13-46(41)89)56(68(96)83-62)80-70(58)98/h9-16,18,20-29,45,54,56-62,64-66,70,74,80,84-85,87-94,98H,3-8,17,19,30H2,1-2H3,(H,77,86)(H,78,99)(H,79,95)(H,81,97)(H,82,100)(H,83,96)(H,101,102)/t45-,54-,56-,57+,58-,59-,60-,61-,62-,64-,65-,66-,70?,74+/m1/s1
اینچیکی
- PDPXZUOGCQAIEJ-QIXGOCHZSA-N
جرم
- 1580.410
جرم تکایزوتوپی
- 1578.40194
اسمایلٓ
- ClC1=CC2=CC=C1OC=3C(O)=C4C=C([C@@](NC([C@@]5([H])NC(=O)[C@](CC=6C=C(Cl)C(O4)=CC6)([H])NC(=O)[C@H](NS(=O)(=O)CCCCCCCC)C=7C=C(C(=CC7)O)OC=8C=C5C=C(C8)O)=O)(C(N[C@]9([H])C%10=CC=C(O)C(=C%10)C%11=C(C=C(C=C%11O)O)[C@H](C(=O)O)NC(=O)[C@@]([H])([C@]2([H])O[C@@H]%12O[C@H](CO)[C@H]([C@@H]([C@H]%12NC(=O)C)O)O)NC9=O)O)[H])C3
زیرمجموعه
- 2_STAR
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:149949
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